3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide Formula: C23H20BrN5OS MolecularWeight: 494.4068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C23H20BrN5OS/c24-17-5-2-7-19(13-17)29-22-14-21(26-15-27-22)28-18-6-1-4-16(12-18)23(30)25-10-9-20-8-3-11-31-20/h1-8,11-15H,9-10H2,(H,25,30)(H2,26,27,28,29)